1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one

C20H12O — CID 138961554

IUPAC1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(C#CC3C=CC=C3)c21
InChIInChI=1S/C20H12O/c21-20-18-10-4-3-9-16(18)17-11-5-8-15(19(17)20)13-12-14-6-1-2-7-14/h1-11,14H
InChIKeyFQMAPRPGJPIFNQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.99
Rot. Bonds

About 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one

1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one (PubChem CID 138961554) has the molecular formula C20H12O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one.

Molecular Properties

Compound Name1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one
PubChem CID138961554
Molecular FormulaC20H12O
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Name1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(C#CC3C=CC=C3)c21
InChIInChI=1S/C20H12O/c21-20-18-10-4-3-9-16(18)17-11-5-8-15(19(17)20)13-12-14-6-1-2-7-14/h1-11,14H
InChIKeyFQMAPRPGJPIFNQ-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one?
The IUPAC name of 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one (CID 138961554) is 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one.
What is the SMILES notation for 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one?
The canonical SMILES for 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one is O=C1c2ccccc2-c2cccc(C#CC3C=CC=C3)c21.
What is the InChIKey of 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one?
The InChIKey is FQMAPRPGJPIFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O/c21-20-18-10-4-3-9-16(18)17-11-5-8-15(19(17)20)13-12-14-6-1-2-7-14/h1-11,14H.
What are the key properties of 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one?
1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one has a molecular weight of 268.31 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one is sourced from PubChem (CID 138961554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).